0 B14R1.42 CC(=O)NNC1=CC=C(C(=C1)C=O)O CNP0149019.0 [0,0,0,0,0,0|4,0,0]=4 1 B14R1.42 CC(C)CCC1=CC=C(C(=C1)C=O)O CNP0310470.0 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.42 COC1=CC(=CC=C1C)C=CC(=O)O CNP0181271.0 [0,0,0,0,0,0|2,0,2]=4 3 B14R1.42 COC1=CC(=CC=C1O)C=CC(=O)C CNP0236688.0 [0,0,0,0,0,0|0,0,2]=2 4 B14R1.42 COC1=CC(=CC=C1O)C=CC(=O)N CNP0288547.0 [0,0,0,0,0,0|1,0,2]=3 5 B14R1.42 COC1=CC(=CC=C1O)C=CC(=O)O CNP0304940.0 [0,0,0,0,0,0|1,0,2]=3 6 B14R1.42 COC1=CC(=CC=C1O)C=C[N+](=O)[O-] CNP0527150.0 [0,0,0,0,0,0|2,0,2]=4 7 B14R1.42 COC1=CC(=CC=C1O)CCC(=O)C CNP0193523.0 [0,0,0,0,0,0|0,0,0]=0 8 B14R1.42 COC1=CC(=CC=C1O)CCC(=O)O CNP0327265.0 [0,0,0,0,0,0|1,0,0]=1 9 B14R1.42 COC1=CC(=CC=C1O)CCN(C)C CNP0191233.0 [0,0,0,0,0,0|2,0,0]=2 10 B14R1.42 COC1=CC(=CC=C1O)CC[C@@H](C)O CNP0301157.2 [0,0,0,0,0,0|0,0,2]=2 11 B14R1.42 COC1=CC(=CC=C1O)CC[C@H](C)O CNP0301157.1 [0,0,0,0,0,0|0,0,2]=2 12 B13R1.511 C=C1C=C(OC=C1O)COC(=O)C CNP0533206.0 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.511 CC(=O)C=CC1=CC=C(C(=C1)O)O CNP0261862.0 [1,0,0,0,0,0|0,0,2]=3 14 B13R1.511 CC(=O)CCC1=CC=C(C(=C1)O)O CNP0175802.0 [1,0,0,0,0,0|0,0,0]=1 15 B13R1.511 CC(=O)OCC1=CC(=O)C(=CO1)O CNP0215641.0 [1,0,0,0,0,0|2,0,1]=4 16 B13R1.511 CC1=CC(=CC=C1O)C=CC(=O)O CNP0164069.0 [1,0,0,0,0,0|1,0,2]=4 17 B13R1.511 CN(C)CCC1=CC=C(C(=C1)O)O CNP0358976.0 [1,0,0,0,0,0|2,0,0]=3 18 B13R1.511 C[C@@H](O)CCC1=CC=C(C(=C1)O)O CNP0157154.1 [1,0,0,0,0,0|0,0,2]=3 19 B13R1.511 C[C@H](O)CCC1=CC=C(C(=C1)O)O CNP0157154.2 [1,0,0,0,0,0|0,0,2]=3 20 B13R1.511 NC(=O)C=CC1=CC=C(C(=C1)O)O CNP0555794.0 [1,0,0,0,0,0|1,0,2]=4 21 B13R1.511 O=C(O)C=CC1=CC=C(C(=C1)O)O CNP0186784.0 [1,0,0,0,0,0|1,0,2]=4 22 B13R1.511 O=C(O)CCC1=CC=C(C(=C1)Cl)O CNP0565501.0 [1,0,0,0,0,0|2,0,0]=3 23 B13R1.511 O=C(O)CCC1=CC=C(C(=C1)O)O CNP0265756.0 [1,0,0,0,0,0|1,0,0]=2 24 B13R1.575 CCOCC1=CC=C(C(=C1)OC)O CNP0232060.0 [1,0,0,0,0,0|1,0,1]=3 25 B13R1.575 CNCCC1=CC=C(C(=C1)OC)O CNP0212498.0 [1,0,0,0,0,0|1,0,0]=2 26 B13R1.575 COC1=CC(=CC=C1C)CCCO CNP0541498.0 [1,0,0,0,0,0|1,0,2]=4 27 B13R1.575 COC1=CC(=CC=C1O)C=CC=O CNP0326347.0 [1,0,0,0,0,0|0,0,2]=3 28 B13R1.575 COC1=CC(=CC=C1O)CC=C=O CNP0144019.0 [1,0,0,0,0,0|0,0,2]=3 29 B13R1.575 COC1=CC(=CC=C1O)CC=CO CNP0508330.0 [1,0,0,0,0,0|0,0,2]=3 30 B13R1.575 COC1=CC(=CC=C1O)CCC=O CNP0299379.0 [1,0,0,0,0,0|0,0,0]=1 31 B13R1.575 COC1=CC(=CC=C1O)CCCO CNP0140320.0 [1,0,0,0,0,0|0,0,2]=3 32 B13R1.643 COC1=CC=CC(=C1)C=CC(=O)O CNP0263486.0 [1,0,0,0,0,0|1,0,2]=4 33 B13R1.643 COC1=CC=CC(=C1)CCC(=O)O CNP0181921.0 [1,0,0,0,0,0|1,0,0]=2 34 B15R1.392 COC1=CC(=CC(=C1O)O)C=CC(=O)O CNP0201458.0 [0,1,0,0,0,0|1,0,2]=4 35 B15R1.392 COC1=CC(=CC(=C1O)O)CC=C(C)C CNP0400425.0 [0,1,0,0,0,0|1,0,1]=3 36 B15R1.392 COC1=CC(=CC(=C1O)O)CCC(=O)C CNP0230079.0 [0,1,0,0,0,0|0,0,0]=1 37 B15R1.873 O=C(O)CCC1=CC=C(C(=C1)[N+](=O)[O-])O CNP0319055.0 [0,1,0,0,0,0|3,0,0]=4 38 B15R1.1803 COC1=CC(=C(C=C1O)O)C=CC(=O)O CNP0117360.0 [0,1,0,0,0,0|1,0,2]=4 39 B15R1.4027 COC1=CC(=CC=C1O)CC[N+](C)(C)C CNP0537086.0 [0,1,0,0,0,0|2,0,0]=3 40 B15R1.4038 COC1=CC(=CC=C1O)C=C(C)C(=O)C CNP0126027.0 [0,1,0,0,0,0|0,0,2]=3 41 B15R1.4038 COC1=CC(=CC=C1O)C=C(O)C(=O)O CNP0585480.0 [0,1,0,0,0,0|1,0,2]=4 42 B15R1.4038 COC1=CC(=CC=C1O)CC(=O)C(=O)O CNP0182576.0 [0,1,0,0,0,0|1,0,1]=3 43 B15R1.4038 COC1=CC(=CC=C1O)CC(=S)C(=O)O CNP0455983.0 [0,1,0,0,0,0|1,0,1]=3 44 B15R1.4038 COC1=CC(=CC=C1O)CC(O)C(=O)O CNP0084890.0 [0,1,0,0,0,0|1,0,0]=2 45 B15R1.4038 COC1=CC(=CC=C1O)C[C@@H](C)C(=O)O CNP0148942.1 [0,1,0,0,0,0|1,0,0]=2 46 B15R1.4038 COC1=CC(=CC=C1O)C[C@H](N)C(=O)O CNP0192186.1 [0,1,0,0,0,0|1,0,0]=2 47 B15R1.4038 N[C@@H](CC1=CC=C(C(=C1)C=O)O)C(=O)O CNP0414777.1 [0,1,0,0,0,0|3,0,0]=4 48 B15R1.4038 N[C@@H](CC1=CC=C(C(=C1)CO)O)C(=O)O CNP0294526.2 [0,1,0,0,0,0|3,0,0]=4 49 B15R1.4038 N[C@H](CC1=CC=C(C(=C1)CO)O)C(=O)O CNP0294526.1 [0,1,0,0,0,0|3,0,0]=4 50 B15R1.4039 CCC(=O)CCC1=CC=C(C(=C1)OC)O CNP0158112.0 [0,1,0,0,0,0|0,0,0]=1 51 B15R1.4039 COC(=O)C=CC1=CC=C(C(=C1)OC)O CNP0386472.0 [0,1,0,0,0,0|0,0,2]=3 52 B15R1.4039 COC(=O)CCC1=CC=C(C(=C1)OC)O CNP0315418.0 [0,1,0,0,0,0|0,0,0]=1 53 B15R1.4039 COC1=CC(=CC=C1O)OCC(O)CO CNP0287954.0 [0,1,0,0,0,0|1,0,2]=4 54 B15R1.4039 COC1=CC(=CC=C1O)OC[C@H](O)CO CNP0287954.1 [0,1,0,0,0,0|1,0,2]=4 55 B15R1.12854 COC1=CC=C(C=C1OC)C=CC(=O)N CNP0348149.0 [0,1,0,0,0,0|1,0,2]=4 56 B15R1.12854 COC1=CC=C(C=C1OC)C=CC(=O)O CNP0235910.0 [0,1,0,0,0,0|1,0,2]=4 57 B15R1.12854 COC1=CC=C(C=C1OC)CCC(=O)C CNP0267914.0 [0,1,0,0,0,0|0,0,0]=1 58 B15R1.12854 COC1=CC=C(C=C1OC)CCC(=O)N CNP0339075.0 [0,1,0,0,0,0|1,0,0]=2 59 B15R1.12854 COC1=CC=C(C=C1OC)CCC(=O)O CNP0228435.0 [0,1,0,0,0,0|1,0,0]=2 60 B15R1.12854 COC1=CC=C(C=C1OC)CCN(C)C CNP0192406.0 [0,1,0,0,0,0|2,0,0]=3 61 B15R1.12854 COC1=CC=C(C=C1OC)CNC(=S)N CNP0220802.0 [0,1,0,0,0,0|2,1,0]=4 62 B15R2.1754 COC1=CC2=C(C=C1O)CN(CC2)C CNP0314559.0 [0,0,0,1,0,0|2,0,0]=3 63 B15R2.1754 COC1=CC2=C(C=C1O)OC(=O)C=C2 CNP0184442.0 [0,0,0,1,0,0|1,0,2]=4 64 B15R2.1754 COC1=CC2=C(C=C1O)OC(=O)CC2 CNP0423453.0 [0,0,0,1,0,0|1,0,0]=2 65 B15R2.1754 COC1=CC2=C(C=[N+](CC2)C)C=C1O CNP0103048.0 [0,0,0,1,0,0|2,0,0]=3 66 B15R2.1754 COC1=CC2=C(C=[N+](CC2)C)C=C1[O-] CNP0580721.0 [0,0,0,1,0,0|2,0,1]=4 67 B15R2.7688 CC(=O)CCC1=CC=C2OCOC2=C1 CNP0147307.0 [0,0,0,1,0,0|0,0,0]=1 68 B15R2.7688 CC(=O)OCC1=CC=C2OCOC2=C1 CNP0415728.0 [0,0,0,1,0,0|1,0,0]=2 69 B15R2.7688 O=C(O)C=CC1=CC=C2OCOC2=C1 CNP0363442.0 [0,0,0,1,0,0|1,0,2]=4 70 B15R2.7688 O=C(O)CCC1=CC=C2OCCC2=C1 CNP0116181.0 [0,0,0,1,0,0|2,0,0]=3 71 B15R2.20732 COC1=CC2=C(C=C1C)[C@@H](C2)C(=O)O CNP0471604.2 [0,0,0,1,0,0|2,0,0]=3 72 B15R2.20732 COC1=CC2=C(C=C1C)[C@H](C2)C(=O)O CNP0471604.1 [0,0,0,1,0,0|2,0,0]=3 73 B15R2.36352 COC1=C(C=CC2=C1OC(=O)C=C2)O CNP0130357.0 [0,0,0,1,0,0|1,0,2]=4 74 B13R1.52 COC1=CC(=CC=C1Br)CC(=O)O CNP0473704.0 [0,0,0,0,1,0|2,0,0]=3 75 B13R1.52 COC1=CC(=CC=C1O)CC(=O)C CNP0185438.0 [0,0,0,0,1,0|0,0,0]=1 76 B13R1.52 COC1=CC(=CC=C1O)CC(=O)O CNP0188137.0 [0,0,0,0,1,0|1,0,0]=2 77 B13R1.52 COC1=CC(=CC=C1O)CC(C)N CNP0310601.0 [0,0,0,0,1,0|1,0,1]=3 78 B13R1.52 COC1=CC(=CC=C1O)C[C@H](C)O CNP0207715.1 [0,0,0,0,1,0|0,0,2]=3 79 B15R1.4030 COC1=CC(=CC=C1O)C=CCC(=O)O CNP0376259.0 [0,0,0,0,0,1|1,0,1]=3 80 B15R1.4030 COC1=CC(=CC=C1O)CCCC(=O)C CNP0313182.0 [0,0,0,0,0,1|0,0,0]=1 81 B15R1.4030 COC1=CC(=CC=C1O)CCCC(=O)O CNP0075877.0 [0,0,0,0,0,1|1,0,0]=2 82 B15R1.4030 COC1=CC(=CC=C1O)CCOC(=O)C CNP0089238.0 [0,0,0,0,0,1|0,0,0]=1 83 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O CNP0238281.0 [2,0,0,0,0,0|0,0,2]=4 84 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [2,0,0,0,0,0|1,0,0]=3 85 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O CNP0218694.0 [2,0,0,0,0,0|0,0,0]=2 86 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O CNP0325229.0 [2,0,0,0,0,0|1,0,0]=3 87 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C CNP0139398.0 [2,0,0,0,0,0|2,0,0]=4 88 B12R1.21 CC(C)CCC1=CC=C(C=C1)O CNP0417670.0 [2,0,0,0,0,0|1,0,1]=4 89 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O CNP0556712.0 [2,0,0,0,0,0|2,0,0]=4 90 B12R1.21 CN(C)CCC1=CC=C(C=C1)O CNP0321554.0 [2,0,0,0,0,0|2,0,0]=4 91 B12R1.21 C[C@@H](O)CCC1=CC=C(C=C1)O CNP0144737.2 [2,0,0,0,0,0|0,0,2]=4 92 B12R1.21 C[C@H](O)CCC1=CC=C(C=C1)O CNP0144737.1 [2,0,0,0,0,0|0,0,2]=4 93 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CNP0590164.0 [2,0,0,0,0,0|1,0,0]=3 94 B12R1.21 NC(=O)OCC1=CC=C(C=C1)O CNP0435961.0 [2,0,0,0,0,0|2,0,0]=4 95 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O CNP0585639.0 [2,0,0,0,0,0|2,0,0]=4 96 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O CNP0290882.0 [2,0,0,0,0,0|1,0,0]=3 97 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O CNP0287419.0 [2,0,0,0,0,0|2,0,0]=4 98 B12R1.21 O=C(O)COC1=CC=C(C=C1)O CNP0053966.0 [2,0,0,0,0,0|2,0,0]=4 99 B12R1.21 O=[N+]([O-])CCC1=CC=C(C=C1)O CNP0559272.0 [2,0,0,0,0,0|2,0,0]=4 100 B12R1.226 CC(=O)OCC1=CC=CC(=C1)C CNP0002410.0 [2,0,0,0,0,0|1,0,0]=3 101 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O CNP0166101.0 [2,0,0,0,0,0|1,0,0]=3 102 B12R1.226 O=C(O)CNC1=CC=CC(=C1)O CNP0322304.0 [2,0,0,0,0,0|2,0,0]=4 103 B12R1.385 CCOCC1=CC=C(C(=C1)O)O CNP0111800.0 [2,0,0,0,0,0|1,0,1]=4 104 B12R1.385 CNCCC1=CC=C(C(=C1)Br)O CNP0131805.0 [2,0,0,0,0,0|2,0,0]=4 105 B12R1.385 CNCCC1=CC=C(C(=C1)O)O CNP0309288.0 [2,0,0,0,0,0|1,0,0]=3 106 B12R1.385 O=CC=CC1=CC=C(C(=C1)O)O CNP0169964.0 [2,0,0,0,0,0|0,0,2]=4 107 B12R1.385 OCCCC1=CC=C(C(=C1)O)O CNP0326950.0 [2,0,0,0,0,0|0,0,2]=4 108 B12R1.286 C=CCC1=CC=C(C(=C1)OC)O CNP0134292.0 [2,0,0,0,0,0|0,0,1]=3 109 B12R1.286 CC#CC1=CC=C(C(=C1)OC)O CNP0612156.0 [2,0,0,0,0,0|0,0,2]=4 110 B12R1.286 CC=CC1=CC=C(C(=C1)OC)O CNP0315621.0 [2,0,0,0,0,0|0,0,1]=3 111 B12R1.286 CCC1=CC(=CC=C1O)CCN CNP0541887.0 [2,0,0,0,0,0|2,0,0]=4 112 B12R1.286 CCC1=CC(=CC=C1O)NC=O CNP0272770.0 [2,0,0,0,0,0|2,0,0]=4 113 B12R1.286 CCCC1=CC=C(C(=C1)OC)O CNP0321309.0 [2,0,0,0,0,0|0,0,0]=2 114 B12R1.286 COC1=CC(=CC=C1O)C=CO CNP0237756.0 [2,0,0,0,0,0|0,0,2]=4 115 B12R1.286 COC1=CC(=CC=C1O)CC=O CNP0262632.0 [2,0,0,0,0,0|0,0,0]=2 116 B12R1.286 COC1=CC(=CC=C1O)CCN CNP0308219.0 [2,0,0,0,0,0|1,0,0]=3 117 B12R1.286 COC1=CC(=CC=C1O)CCO CNP0423217.0 [2,0,0,0,0,0|0,0,1]=3 118 B12R1.286 COCC1=CC=C(C(=C1)OC)O CNP0276003.0 [2,0,0,0,0,0|1,0,0]=3 119 B12R1.382 COC1=CC=CC(=C1)CCCN CNP0009838.0 [2,0,0,0,0,0|1,0,1]=4 120 B14R1.684 C[N+](C)(C)CCC1=CC=C(C(=C1)O)O CNP0521587.0 [1,1,0,0,0,0|2,0,0]=4 121 B14R1.684 C[N+](C)(C)CCC1=CC=C(C(=C1)O)O CNP0592893.0 [1,1,0,0,0,0|2,0,0]=4 122 B14R1.685 CN(C)C[C@H](O)C1=CC=C(C(=C1)O)O CNP0123586.1 [1,1,0,0,0,0|2,0,0]=4 123 B14R1.686 C[C@@H](CC1=CC=C(C(=C1)O)O)C(=O)O CNP0236065.1 [1,1,0,0,0,0|1,0,0]=3 124 B14R1.686 N=C(CC1=CC=C(C(=C1)O)O)C(=O)O CNP0486723.0 [1,1,0,0,0,0|1,0,1]=4 125 B14R1.686 NC(=O)[C@@H](O)CC1=CC=C(C(=C1)O)O CNP0369894.2 [1,1,0,0,0,0|1,0,0]=3 126 B14R1.686 NC(=O)[C@H](O)CC1=CC=C(C(=C1)O)O CNP0369894.1 [1,1,0,0,0,0|1,0,0]=3 127 B14R1.686 NC1=CC(=CC=C1O)C[C@H](N)C(=O)O CNP0194206.2 [1,1,0,0,0,0|2,0,0]=4 128 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)Br)O)C(=O)O CNP0139461.1 [1,1,0,0,0,0|2,0,0]=4 129 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)Cl)O)C(=O)O CNP0342895.1 [1,1,0,0,0,0|2,0,0]=4 130 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)I)O)C(=O)O CNP0354293.1 [1,1,0,0,0,0|2,0,0]=4 131 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)O)O)C(=O)O CNP0290328.1 [1,1,0,0,0,0|1,0,0]=3 132 B14R1.686 N[C@H](CC1=CC=C(C(=C1)I)O)C(=O)O CNP0354293.2 [1,1,0,0,0,0|2,0,0]=4 133 B14R1.686 N[C@H](CC1=CC=C(C(=C1)O)O)C(=O)O CNP0290328.2 [1,1,0,0,0,0|1,0,0]=3 134 B14R1.686 O=C(O)C(=O)CC1=CC=C(C(=C1)O)O CNP0017898.0 [1,1,0,0,0,0|1,0,1]=4 135 B14R1.686 O=C(O)[C@@H](O)CC1=CC=C(C(=C1)O)O CNP0265014.2 [1,1,0,0,0,0|1,0,0]=3 136 B14R1.686 O=C(O)[C@H](O)CC1=CC=C(C(=C1)O)O CNP0265014.3 [1,1,0,0,0,0|1,0,0]=3 137 B14R1.686 O=C(O)[C@H](O)CC1=CC=C(C(=C1)O)[O-] CNP0265014.1 [1,1,0,0,0,0|1,0,1]=4 138 B14R1.833 COC(=O)C=CC1=CC=C(C(=C1)O)O CNP0274791.0 [1,1,0,0,0,0|0,0,2]=4 139 B14R1.833 COC(=O)CCC1=CC=C(C(=C1)O)O CNP0198337.0 [1,1,0,0,0,0|0,0,0]=2 140 B14R1.3653 COC1=CC=C(C=C1O)CCC(=O)C CNP0128440.0 [1,1,0,0,0,0|0,0,0]=2 141 B14R1.3653 COC1=CC=C(C=C1O)CCC(=O)O CNP0304446.0 [1,1,0,0,0,0|1,0,0]=3 142 B14R1.6036 CC(=O)C=CC1=CC(=C(C=C1Br)O)O CNP0131482.0 [1,1,0,0,0,0|0,0,2]=4 143 B14R1.6059 O=C(O)CCC1=CC=C(C(=C1O)O)O CNP0274011.0 [1,1,0,0,0,0|1,0,0]=3 144 B14R1.15552 CC(=O)C=CC1=CC(=C(C(=C1)Br)O)O CNP0163311.0 [1,1,0,0,0,0|0,0,2]=4 145 B14R1.15552 CC(=O)OCC1=CC(=C(C(=C1)Br)O)Br CNP0018720.0 [1,1,0,0,0,0|2,0,0]=4 146 B14R1.15552 O=C(O)CCC1=CC(=C(C(=C1)Cl)O)Cl CNP0482773.0 [1,1,0,0,0,0|2,0,0]=4 147 B14R1.626 CCC1=CC(=CC=C1O)[C@@H](O)CNC CNP0088572.1 [1,1,0,0,0,0|2,0,0]=4 148 B14R1.626 CNC[C@@H](O)C1=CC=C(C(=C1)OC)O CNP0212601.3 [1,1,0,0,0,0|1,0,0]=3 149 B14R1.626 CNC[C@H](O)C1=CC=C(C(=C1)OC)O CNP0212601.1 [1,1,0,0,0,0|1,0,0]=3 150 B14R1.626 COC1=CC(=CC=C1O)C(O)COO CNP0075731.0 [1,1,0,0,0,0|1,0,1]=4 151 B14R1.793 CNCCC1=CC=C(C(=C1)OC)OC CNP0390626.0 [1,1,0,0,0,0|1,0,0]=3 152 B14R1.793 COC1=CC=C(C=C1OC)C=CC=O CNP0207087.0 [1,1,0,0,0,0|0,0,2]=4 153 B14R1.793 COC1=CC=C(C=C1OC)CCC=O CNP0567000.0 [1,1,0,0,0,0|0,0,0]=2 154 B14R1.793 COC1=CC=C(C=C1OC)CCCN CNP0491555.0 [1,1,0,0,0,0|1,0,1]=4 155 B14R1.793 COC1=CC=C(C=C1OC)CCCO CNP0252849.0 [1,1,0,0,0,0|0,0,2]=4 156 B14R1.907 COC1=CC(=CC=C1O)CCCCO CNP0609137.0 [1,1,0,0,0,0|0,0,1]=3 157 B14R1.907 COC1=CC(=CC=C1O)CNCCO CNP0464121.0 [1,1,0,0,0,0|0,0,2]=4 158 B14R1.907 COCC=CC1=CC=C(C(=C1)OC)O CNP0141712.0 [1,1,0,0,0,0|1,0,1]=4 159 B14R1.3405 COC(=O)CC1=CC=C(C(=C1)OC)O CNP0561542.0 [1,1,0,0,0,0|1,0,1]=4 160 B14R1.3405 COC1=CC(=CC=C1O)C[C@@H](O)CO CNP0368718.2 [1,1,0,0,0,0|0,0,2]=4 161 B14R1.3405 COC1=CC(=CC=C1O)C[C@H](C)CO CNP0281039.1 [1,1,0,0,0,0|0,0,2]=4 162 B14R1.3405 COC1=CC(=CC=C1O)C[C@H](O)CO CNP0368718.1 [1,1,0,0,0,0|0,0,2]=4 163 B14R1.7499 COC1=CC(=CC(=C1O)O)C=CC=O CNP0274631.0 [1,1,0,0,0,0|0,0,2]=4 164 B14R1.7499 COC1=CC(=CC(=C1O)O)CCC=O CNP0423618.0 [1,1,0,0,0,0|0,0,0]=2 165 B14R1.7499 COC1=CC(=CC(=C1O)O)CCCO CNP0320981.0 [1,1,0,0,0,0|0,0,2]=4 166 B14R1.81 COC1=CC=CC(=C1O)C=CC(=O)C CNP0581231.0 [1,1,0,0,0,0|0,0,2]=4 167 B14R1.376 COC1=CC(=O)OC(=C1)CCC(=O)O CNP0144290.0 [1,1,0,0,0,0|2,0,0]=4 168 B14R1.2335 COC1=CC=C(C(=C1)CC=C(C)C)O CNP0312257.0 [1,1,0,0,0,0|1,0,1]=4 169 B14R1.41 COC1=CC(=CC=C1O)C(=O)C(=O)C CNP0236000.0 [0,1,0,0,1,0|0,0,1]=3 170 B14R1.41 COC1=CC(=CC=C1O)C(=O)C(=O)N CNP0209538.0 [0,1,0,0,1,0|1,0,1]=4 171 B14R1.41 COC1=CC(=CC=C1O)C(C)C(=O)O CNP0551476.0 [0,1,0,0,1,0|1,0,0]=3 172 B14R1.41 COC1=CC(=CC=C1O)[C@@H](O)C(=O)C CNP0150504.1 [0,1,0,0,1,0|0,0,0]=2 173 B14R1.41 COC1=CC(=CC=C1O)[C@@H](O)C(=O)O CNP0259735.2 [0,1,0,0,1,0|1,0,0]=3 174 B14R1.41 COC1=CC(=CC=C1O)[C@@H](O)[C@@H](C)O CNP0147365.3 [0,1,0,0,1,0|0,0,2]=4 175 B14R1.41 COC1=CC(=CC=C1O)[C@@H](O)[C@H](C)O CNP0147365.1 [0,1,0,0,1,0|0,0,2]=4 176 B14R1.41 COC1=CC(=CC=C1O)[C@H](O)C(=O)O CNP0259735.1 [0,1,0,0,1,0|1,0,0]=3 177 B14R1.41 COC1=CC(=CC=C1O)[C@H](O)[C@@H](C)O CNP0147365.2 [0,1,0,0,1,0|0,0,2]=4 178 B14R1.41 COC1=CC(=CC=C1O)[C@H](O)[C@H](C)O CNP0147365.4 [0,1,0,0,1,0|0,0,2]=4 179 B14R1.705 CC(=O)C1=CC(=CC=C1O)CC(=O)O CNP0075792.0 [0,1,0,0,1,0|2,0,0]=4 180 B14R1.705 CC(=O)NC1=CC=C(C(=C1)C(=O)C)O CNP0035331.0 [0,1,0,0,1,0|2,0,0]=4 181 B14R1.3651 COC1=CC=C(C=C1OC)CC(=O)C CNP0169719.0 [0,1,0,0,1,0|0,0,0]=2 182 B14R1.3651 COC1=CC=C(C=C1OC)CC(=O)O CNP0212917.0 [0,1,0,0,1,0|1,0,0]=3 183 B16R1.1059 CC(=O)NCCC1=CC=C(C(=C1)[N+](=O)[O-])O CNP0513429.0 [0,1,0,0,0,1|2,0,0]=4 184 B16R1.4275 COC1=CC=C(C=C1OC)CCNC(=N)N CNP0326142.0 [0,1,0,0,0,1|2,0,0]=4 185 B16R1.4275 COC1=CC=C(C=C1OC)CCNC(=O)C CNP0318901.0 [0,1,0,0,0,1|0,0,0]=2 186 B16R1.4275 COC1=CC=C(C=C1OC)CCNC(=O)N CNP0498475.0 [0,1,0,0,0,1|1,0,0]=3 187 B16R1.4275 COC1=CC=C(C=C1OC)CNCC(=O)O CNP0397920.0 [0,1,0,0,0,1|1,0,0]=3 188 B16R1.4708 COC(=O)C=CCC1=CC=C(C(=C1)OC)O CNP0174985.0 [0,1,0,0,0,1|0,0,1]=3 189 B16R1.4709 COC1=CC(=CC=C1O)C(=O)NCC(=O)O CNP0320579.0 [0,1,0,0,0,1|1,0,1]=4 190 B16R1.407 COC(=O)C=CC1=CC(=C(C(=C1)OC)O)O CNP0264196.0 [0,2,0,0,0,0|0,0,2]=4 191 B16R1.414 COC1=CC(=CC(=C1OC)O)CCC(=O)C CNP0336818.0 [0,2,0,0,0,0|0,0,0]=2 192 B16R1.414 COC1=CC(=CC(=C1OC)O)CCN(C)C CNP0110737.0 [0,2,0,0,0,0|2,0,0]=4 193 B16R1.423 COC1=CC(=CC(=C1O)OC)C=CC(=O)C CNP0333338.0 [0,2,0,0,0,0|0,0,2]=4 194 B16R1.423 COC1=CC(=CC(=C1O)OC)CCC(=O)C CNP0296503.0 [0,2,0,0,0,0|0,0,0]=2 195 B16R1.423 COC1=CC(=CC(=C1O)OC)CCC(=O)O CNP0251351.0 [0,2,0,0,0,0|1,0,0]=3 196 B16R1.20030 COC(=O)CCC1=CC(=C(C=C1O)O)OC CNP0133873.0 [0,2,0,0,0,0|0,0,0]=2 197 B16R1.20040 COC1=CC(=C(C=C1OC)CCC(=O)O)O CNP0444331.0 [0,2,0,0,0,0|1,0,0]=3 198 B16R1.4273 COC1=CC=C(C=C1OC)[C@@H](N)CC(=O)O CNP0373929.2 [0,2,0,0,0,0|1,0,0]=3 199 B16R1.4273 COC1=CC=C(C=C1OC)[C@@H](O)CN(C)C CNP0276325.2 [0,2,0,0,0,0|2,0,0]=4 200 B16R1.4273 COC1=CC=C(C=C1OC)[C@H](N)CC(=O)O CNP0373929.1 [0,2,0,0,0,0|1,0,0]=3 201 B16R1.4273 COC1=CC=C(C=C1OC)[C@H](O)CN(C)C CNP0276325.1 [0,2,0,0,0,0|2,0,0]=4 202 B16R1.4727 COC(=O)C[C@@H](O)C1=CC=C(C(=C1)OC)O CNP0129029.1 [0,2,0,0,0,0|0,0,0]=2 203 B16R1.4731 COC1=CC(=CC=C1O)[C@@H](O)[C@@H](C)C(=O)C CNP0214189.1 [0,2,0,0,0,0|0,0,0]=2 204 B16R1.4274 COC1=CC=C(C=C1OC)CC(=O)C(=O)O CNP0018846.0 [0,2,0,0,0,0|1,0,1]=4 205 B16R1.4274 COC1=CC=C(C=C1OC)C[C@H](N)C(=O)O CNP0150986.1 [0,2,0,0,0,0|1,0,0]=3 206 B16R1.4730 COC1=CC(=CC=C1O)CC(C)C(C)CO CNP0131330.0 [0,2,0,0,0,0|0,0,2]=4 207 B16R1.4730 COC1=CC(=CC=C1O)C[C@H](C)[C@H](C)CO CNP0131330.1 [0,2,0,0,0,0|0,0,2]=4 208 B16R1.4763 COC1=CC(=CC=C1O)CC(=NO)C(=O)O CNP0460736.0 [0,2,0,0,0,0|1,0,1]=4 209 B16R1.27683 COC1=CC(=CC=C1O)C[C@](C)(O)C(=O)O CNP0280009.1 [0,2,0,0,0,0|1,0,0]=3 210 B16R1.4276 COC(=O)C=CC1=CC=C(C(=C1)OC)OC CNP0218465.0 [0,2,0,0,0,0|0,0,2]=4 211 B16R1.4276 COC(=O)CCC1=CC=C(C(=C1)OC)OC CNP0324980.0 [0,2,0,0,0,0|0,0,0]=2 212 B16R1.15083 CCCC(=O)CCC1=CC=C(C(=C1)OC)O CNP0609960.0 [0,2,0,0,0,0|0,0,0]=2 213 B16R1.15083 CCCC(=O)NCC1=CC=C(C(=C1)OC)O CNP0174048.0 [0,2,0,0,0,0|1,0,0]=3 214 B16R1.15083 CCOC(=O)C=CC1=CC=C(C(=C1)OC)O CNP0259003.0 [0,2,0,0,0,0|0,0,2]=4 215 B16R1.15083 COC1=CC(=CC=C1O)CC[C@@H](O)CC=O CNP0213750.1 [0,2,0,0,0,0|0,0,2]=4 216 B16R1.20127 COC1=CC=C(C(=C1OC)O)CCC(=O)O CNP0286960.0 [0,2,0,0,0,0|1,0,0]=3 217 B16R1.4746 COC1=CC(=CC=C1C(C)C)COC(=O)C CNP0154899.0 [0,2,0,0,0,0|2,0,0]=4 218 B14R2.8239 CN1CCC2=CC(=C(C=C2C1)O)O CNP0184733.0 [1,0,0,1,0,0|2,0,0]=4 219 B14R2.8239 NC1CCC2=CC(=C(C=C2C1)O)O CNP0604186.0 [1,0,0,1,0,0|1,0,1]=4 220 B14R2.8239 O=C1CCC2=CC(=C(C=C2O1)O)O CNP0106848.0 [1,0,0,1,0,0|1,0,0]=3 221 B14R2.8333 C[N+]1(CCC2=CC(=C(C=C12)O)O)C CNP0506110.0 [1,0,0,1,0,0|2,0,0]=4 222 B14R2.991 CC=COC1=CC=C2OCOC2=C1 CNP0085699.0 [1,0,0,1,0,0|1,0,1]=4 223 B14R2.991 O=CC=CC1=CC=C2OCOC2=C1 CNP0233065.0 [1,0,0,1,0,0|0,0,2]=4 224 B14R2.1128 COC1=CC2=C(C=C1O)CCNC2 CNP0199314.0 [1,0,0,1,0,0|1,0,1]=4 225 B14R2.1128 COC1=CC2=C(C=C1O)CNCC2 CNP0107649.0 [1,0,0,1,0,0|1,0,0]=3 226 B14R2.1128 COC1=CC2=C(C=C1O)OC=CC2 CNP0132369.0 [1,0,0,1,0,0|0,0,2]=4 227 B14R2.3822 COC1=C(C=CC2=C1C(=O)OC2)O CNP0259149.0 [1,0,0,1,0,0|1,0,0]=3 228 B14R2.155 COC1=CC=C2C(=C1)C[C@@H]2C(=O)O CNP0440339.1 [1,0,0,1,0,0|1,0,0]=3 229 B14R2.155 COC1=CC=C2C(=C1)C[C@H]2C(=O)O CNP0440339.2 [1,0,0,1,0,0|1,0,0]=3 230 B14R2.2332 CCC1=CC=C2CC(=O)CCC2=C1 CNP0150137.0 [1,0,0,1,0,0|1,0,0]=3 231 B14R2.1008 CC(N)CC1=CC=C2OCOC2=C1 CNP0458254.0 [0,0,0,1,1,0|1,0,1]=4 232 B14R2.1008 O=C(O)CC1=CC=C2CCOC2=C1 CNP0447471.0 [0,0,0,1,1,0|2,0,0]=4 233 B14R2.1008 O=C(O)CC1=CC=C2OCCC2=C1 CNP0259252.0 [0,0,0,1,1,0|2,0,0]=4 234 B14R2.1008 O=C(O)CC1=CC=C2OCOC2=C1 CNP0369683.0 [0,0,0,1,1,0|1,0,0]=3 235 B16R2.2324 COC1=CC(=CC=C1O)C2OCC(O2)C CNP0059128.0 [0,0,0,1,0,1|0,0,2]=4 236 B16R2.41080 COC1=CC2=C(C=C1O)C(NCC2)(C)C CNP0234819.0 [0,0,0,1,0,1|1,0,1]=4 237 B16R2.36472 COC1=CC2=C(CN(CC2)C)C(=C1O)N CNP0472072.0 [0,1,0,1,0,0|2,0,0]=4 238 B16R2.477 O=C(O)COC1=CC=C2OCCOC2=C1 CNP0371631.0 [0,1,0,1,0,0|2,0,0]=4 239 B16R2.1933 C=C(C)[C@@H]1CC2=CC(=C(C=C2O1)O)OC CNP0163051.1 [0,1,0,1,0,0|1,0,0]=3 240 B16R2.36437 COC1=CC2=C(C=C1O)C[N+](CC2)(C)C CNP0605049.0 [0,1,0,1,0,0|2,0,0]=4 241 B16R2.11587 N[C@@H](CC(=O)O)C1=CC=C2OCOC2=C1 CNP0372915.1 [0,1,0,1,0,0|1,0,0]=3 242 B16R2.11587 N[C@H](CC(=O)O)C1=CC=C2OCOC2=C1 CNP0372915.2 [0,1,0,1,0,0|1,0,0]=3 243 B16R2.6257 CC(=O)[C@@H](C)CC1=CC=C2OCOC2=C1 CNP0310936.1 [0,1,0,1,0,0|0,0,0]=2 244 B16R2.6257 CC(CC1=CC=C2OCOC2=C1)N(C)C CNP0140450.0 [0,1,0,1,0,0|2,0,0]=4 245 B16R2.6257 N[C@@H](CC1=CC=C2OCOC2=C1)C(=O)O CNP0242743.1 [0,1,0,1,0,0|1,0,0]=3 246 B16R2.1357 CC(CCC1=CC=C2OCOC2=C1)NN CNP0575378.0 [0,1,0,1,0,0|1,0,1]=4 247 B16R2.1357 CNC(C)CCC1=CC=C2OCOC2=C1 CNP0086060.0 [0,1,0,1,0,0|1,0,1]=4 248 B16R2.1357 COC(=O)C=CC1=CC=C2OCOC2=C1 CNP0236067.0 [0,1,0,1,0,0|0,0,2]=4 249 B16R2.1679 COC1=CC2=C(C=C1O)C(=O)N(CC2)C CNP0207034.0 [0,1,0,1,0,0|1,0,0]=3 250 B16R2.1679 COC1=CC2=C(C=C1O)[C@@H](N(CC2)C)C CNP0238323.1 [0,1,0,1,0,0|2,0,0]=4 251 B16R2.1679 COC1=CC2=C(C=C1O)[C@H](N(CC2)C)C CNP0238323.2 [0,1,0,1,0,0|2,0,0]=4 252 B16R2.1461 COC1=CC2=C(C=C1OC)CC(=O)C=C2 CNP0535989.0 [0,1,0,1,0,0|0,0,2]=4 253 B16R2.1461 COC1=CC2=C(C=C1OC)CC(=O)NC2 CNP0009867.0 [0,1,0,1,0,0|1,0,0]=3 254 B16R2.1461 COC1=CC2=C(C=C1OC)CC(=O)OC2 CNP0365712.0 [0,1,0,1,0,0|1,0,0]=3 255 B16R2.1461 COC1=CC2=C(C=C1OC)CC[N+](=C2)C CNP0512221.0 [0,1,0,1,0,0|2,0,0]=4 256 B16R2.1461 COC1=CC2=C(C=C1OC)CC[N+](=C2)C CNP0561474.0 [0,1,0,1,0,0|2,0,0]=4 257 B16R2.1461 COC1=CC2=C(C=C1OC)CN(CC2)C CNP0174490.0 [0,1,0,1,0,0|2,0,0]=4 258 B16R2.1461 COC1=CC2=C(C=C1OC)OC(=O)CC2 CNP0301010.0 [0,1,0,1,0,0|1,0,0]=3 259 B16R2.36419 COC1=CC2=C(C=C1OC)[C@@H](C2)C(=O)O CNP0449664.2 [0,1,0,1,0,0|1,0,0]=3 260 B16R2.36419 COC1=CC2=C(C=C1OC)[C@H](C2)C(=O)O CNP0449664.1 [0,1,0,1,0,0|1,0,0]=3 261 B16R3.10840 CN1CCC2=CC3=C(C=C2C1)OCO3 CNP0203305.0 [0,0,0,2,0,0|2,0,0]=4 262 B16R3.10840 C[N+]1=CC2=CC3=C(C=C2CC1)OCO3 CNP0531161.0 [0,0,0,2,0,0|2,0,0]=4 263 B16R3.10840 O=C1CCC2=CC3=C(C=C2N1)OCO3 CNP0502719.0 [0,0,0,2,0,0|1,0,0]=3 264 B16R3.11020 O=C1CCC2=CC=C3OCOC3=C2O1 CNP0311921.0 [0,0,0,2,0,0|1,0,0]=3 265 B16R3.214787 O=C(O)[C@@H]1CC2=CC3=C(C=C12)OCO3 CNP0461408.2 [0,0,0,2,0,0|1,0,0]=3 266 B16R3.214787 O=C(O)[C@H]1CC2=CC3=C(C=C12)OCO3 CNP0461408.1 [0,0,0,2,0,0|1,0,0]=3 267 B12R1.19 CC(=O)CC1=CC=C(C(=C1)O)O CNP0097636.0 [1,0,0,0,1,0|0,0,0]=2 268 B12R1.19 CC(=O)OC1=CC=C(C(=C1)C)O CNP0297817.0 [1,0,0,0,1,0|1,0,0]=3 269 B12R1.19 CC(=O)OC1=CC=C(C(=C1)O)O CNP0238472.0 [1,0,0,0,1,0|1,0,0]=3 270 B12R1.19 CC1=CC(=CC=C1O)CC(=O)O CNP0116223.0 [1,0,0,0,1,0|1,0,0]=3 271 B12R1.19 CC1=CC=C(C=C1C)CC(=O)O CNP0579791.0 [1,0,0,0,1,0|2,0,0]=4 272 B12R1.19 C[C@H](N)CC1=CC=C(C(=C1)O)O CNP0397624.1 [1,0,0,0,1,0|1,0,1]=4 273 B12R1.19 NC(=O)CC1=CC=C(C(=C1)Cl)O CNP0313048.0 [1,0,0,0,1,0|2,0,0]=4 274 B12R1.19 NC(=O)CC1=CC=C(C(=C1)O)O CNP0087042.0 [1,0,0,0,1,0|1,0,0]=3 275 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CNP0127310.0 [1,0,0,0,1,0|2,0,0]=4 276 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Cl)O CNP0326831.0 [1,0,0,0,1,0|2,0,0]=4 277 B12R1.19 O=C(O)CC1=CC=C(C(=C1)O)O CNP0276169.0 [1,0,0,0,1,0|1,0,0]=3 278 B12R1.438 CCC1=CC=CC(=C1)OC(=O)C CNP0076431.0 [1,0,0,0,1,0|2,0,0]=4 279 B12R1.438 COC1=CC=CC(=C1)CC(=O)O CNP0272560.0 [1,0,0,0,1,0|1,0,0]=3 280 B12R1.438 COC1=CC=CC(=C1)CC(C)N CNP0080010.0 [1,0,0,0,1,0|1,0,1]=4 281 B12R1.56 C=C(C)C1=CC=C(C(=C1)OC)C CNP0254908.0 [0,0,0,0,2,0|2,0,0]=4 282 B12R1.56 C=C(C)C1=CC=C(C(=C1)OC)O CNP0208361.0 [0,0,0,0,2,0|1,0,0]=3 283 B12R1.56 CC(=O)C1=CC=C(C(=C1)C=O)O CNP0387842.0 [0,0,0,0,2,0|2,0,0]=4 284 B12R1.56 CCC1=CC(=CC=C1O)C(=O)O CNP0121187.0 [0,0,0,0,2,0|2,0,0]=4 285 B12R1.56 COC1=CC(=CC=C1C)C(=O)C CNP0017950.0 [0,0,0,0,2,0|1,0,0]=3 286 B12R1.56 COC1=CC(=CC=C1C)C(=O)O CNP0497367.0 [0,0,0,0,2,0|2,0,0]=4 287 B12R1.56 COC1=CC(=CC=C1N)C(=O)O CNP0018066.0 [0,0,0,0,2,0|2,0,0]=4 288 B12R1.56 COC1=CC(=CC=C1O)C(=O)C CNP0219031.0 [0,0,0,0,2,0|0,0,0]=2 289 B12R1.56 COC1=CC(=CC=C1O)C(=O)N CNP0200127.0 [0,0,0,0,2,0|1,0,0]=3 290 B12R1.56 COC1=CC(=CC=C1O)C(=O)O CNP0122021.0 [0,0,0,0,2,0|1,0,0]=3 291 B12R1.56 COC1=CC(=CC=C1O)C(=O)[O-] CNP0564199.0 [0,0,0,0,2,0|1,0,0]=3 292 B12R1.56 COC1=CC(=CC=C1O)C(C)O CNP0582143.0 [0,0,0,0,2,0|0,0,2]=4 293 B12R1.56 COC1=CC(=CC=C1[O-])C(=O)O CNP0511962.0 [0,0,0,0,2,0|1,0,1]=4 294 B14R1.1600 COC1=CC(=CC=C1CCC(=O)O)O CNP0477229.0 [0,0,0,0,1,1|1,0,0]=3 295 B16R1.4707 COC1=CC(=CC=C1O)C=CCOC(=O)C CNP0397189.0 [0,0,0,0,0,2|0,0,1]=3 296 B16R1.4707 COC1=CC(=CC=C1O)CCCOC(=O)C CNP0149833.0 [0,0,0,0,0,2|0,0,0]=2